Mol:LBF13000BC02
From Metabolomics.JP
				
								
				
				
																
				
				
								
				<pre>
Copyright: ARM project http://www.metabolome.jp/
 17 16  0  0  1  0  0  0  0  0999 V2000
   -2.7307    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1485    1.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8222   -1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347   -2.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9254    1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7307    2.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7307    1.0717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4932    1.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  4  0  0  0
  2  6  1  0  0  0  0
  4 12  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 13 17  1  0  0  0  0
S  SKP  5
ID	LBF13000BC02
FORMULA	C15H30O2
EXACTMASS	242.22458020399998
AVERAGEMASS	242.3975
SMILES	CC(C)CCCCCCCC(C)CCC(O)=O
M  END
</pre>

